N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide

C16H20N2OS — CID 79802131

IUPACN-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(Cc1ccc(N)cc1)C(C)C
InChIInChI=1S/C16H20N2OS/c1-11(2)18(8-13-4-6-14(17)7-5-13)16(19)15-10-20-9-12(15)3/h4-7,9-11H,8,17H2,1-3H3
InChIKeyGKTJSKYLEKJZLG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.69
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide

N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 79802131) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide
PubChem CID79802131
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(Cc1ccc(N)cc1)C(C)C
InChIInChI=1S/C16H20N2OS/c1-11(2)18(8-13-4-6-14(17)7-5-13)16(19)15-10-20-9-12(15)3/h4-7,9-11H,8,17H2,1-3H3
InChIKeyGKTJSKYLEKJZLG-UHFFFAOYSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-aminophenyl)methyl]-5-bromo-N-propan-2-ylthiophene-3-carboxamide
CID 107959329
methyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 43460059
N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384017
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 23506958
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 61095288
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-(2-methylpropyl)acetamide
CID 43460081
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120617672
N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide
CID 43460030
N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide
CID 79808703
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide (CID 79802131) is N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide is Cc1cscc1C(=O)N(Cc1ccc(N)cc1)C(C)C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is GKTJSKYLEKJZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)18(8-13-4-6-14(17)7-5-13)16(19)15-10-20-9-12(15)3/h4-7,9-11H,8,17H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide?
N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 79802131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).